tert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate

C19H28N2O3 — CID 11688552

IUPACtert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cccc(C(C)(C)C)c2)C(=O)C1
InChIInChI=1S/C19H28N2O3/c1-18(2,3)14-8-7-9-15(12-14)21-11-10-20(13-16(21)22)17(23)24-19(4,5)6/h7-9,12H,10-11,13H2,1-6H3
InChIKeyFAVPVQKPLWKJKE-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.57
Rot. Bonds1

About tert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate

tert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate (PubChem CID 11688552) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate
PubChem CID11688552
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cccc(C(C)(C)C)c2)C(=O)C1
InChIInChI=1S/C19H28N2O3/c1-18(2,3)14-8-7-9-15(12-14)21-11-10-20(13-16(21)22)17(23)24-19(4,5)6/h7-9,12H,10-11,13H2,1-6H3
InChIKeyFAVPVQKPLWKJKE-UHFFFAOYSA-N
XLogP3.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate
CID 175785787
tert-butyl 4-(2-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 67112342
tert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate
CID 18009110
[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-3-pyridinyl]boronic acid
CID 171482287
tert-butyl 4-[3-chloro-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinolin-6-yl]-3-oxopiperazine-1-carboxylate
CID 166485355
tert-butyl 6-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 143307369
tert-butyl 4-[3-[5-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2-oxo-1-pyridinyl]phenyl]-3-oxopiperazine-1-carboxylate
CID 167473594
tert-butyl 4-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxylate
CID 22048588
tert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate
CID 162624837
tert-butyl 4-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 29132211
tert-butyl 4-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 42651559
tert-butyl (3R)-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 156760411

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate (CID 11688552) is tert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cccc(C(C)(C)C)c2)C(=O)C1.
What is the InChIKey of tert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate?
The InChIKey is FAVPVQKPLWKJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-18(2,3)14-8-7-9-15(12-14)21-11-10-20(13-16(21)22)17(23)24-19(4,5)6/h7-9,12H,10-11,13H2,1-6H3.
What are the key properties of tert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate?
tert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 11688552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).